2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

C15H21IN4O3S — CID 5177317

IUPAC2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCN1CCC(=NNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H21IN4O3S/c1-19-9-7-13(8-10-19)17-18-15(21)11-20(24(2,22)23)14-5-3-12(16)4-6-14/h3-6H,7-11H2,1-2H3,(H,18,21)
InChIKeyMQLPTKFYPHLRKI-UHFFFAOYSA-N
MW464.33 g/mol
LogP1.25
Rot. Bonds5

About 2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (PubChem CID 5177317) has the molecular formula C15H21IN4O3S and a molecular weight of 464.33 g/mol. Its IUPAC name is 2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
PubChem CID5177317
Molecular FormulaC15H21IN4O3S
Molecular Weight464.33 g/mol
Exact Mass464.04
IUPAC Name2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCN1CCC(=NNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H21IN4O3S/c1-19-9-7-13(8-10-19)17-18-15(21)11-20(24(2,22)23)14-5-3-12(16)4-6-14/h3-6H,7-11H2,1-2H3,(H,18,21)
InChIKeyMQLPTKFYPHLRKI-UHFFFAOYSA-N
XLogP1.25
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 3739032
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 1021048
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide
CID 126139179
4-[benzyl(methylsulfonyl)amino]-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 2865943
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 2858984
N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2942786
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 126031270
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-4-phenylbutan-2-ylideneamino]acetamide
CID 126029961
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]acetamide
CID 126030461
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 3442298
N-(cyclooctylideneamino)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126031778
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 126033644

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of 2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (CID 5177317) is 2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for 2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is CN1CCC(=NNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)CC1.
What is the InChIKey of 2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is MQLPTKFYPHLRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN4O3S/c1-19-9-7-13(8-10-19)17-18-15(21)11-20(24(2,22)23)14-5-3-12(16)4-6-14/h3-6H,7-11H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 464.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 5177317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).